1-(5-bromanyl-2-methoxy-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-(5-bromo-2-methoxy-benzylidene)-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C20H25BrN3O+ MolecularWeight: 403.336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H24BrN3O/c1-16-3-5-17(6-4-16)15-23-9-11-24(12-10-23)22-14-18-13-19(21)7-8-20(18)25-2/h3-8,13-14H,9-12,15H2,1-2H3/p+1/b22-14+